Geometry & MOs

Info

ID:

47409

PubChem CID:

10532440

Reduced:

FPO11C33H44 (1)

Stoich.:

ABC11D33E44 (1)

Weight, g/mol:

552.3523

ΔHf, kcal/mol:

-597.31

Dipole, Da:

5.37

IP(EA), eV:

 -9.39(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-4-[[(1S)-1-carboxy-2-cyclooctylethyl]amino]-3-[[2-[ethyl(4-piperidin-4-ylbutanoyl)amino]acetyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)F)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations